COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.707  -0.263   0.735  1.00  0.00           C  
HETATM    2  N   UNL     1       1.378   0.780   0.074  1.00  0.00           N  
HETATM    3  O   UNL     1      -1.336  -0.694   1.672  1.00  0.00           O  
HETATM    4  C   UNL     1       0.222   0.911   0.964  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.510   2.221   0.681  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.954   1.708  -1.336  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.524   3.644  -0.667  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.523  -2.654   0.853  1.00  0.00           C  
HETATM    9  O   UNL     1       2.721   1.735   1.563  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.766  -0.039  -1.423  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.711   2.156   2.087  1.00  0.00           O  
HETATM   12  O   UNL     1       5.179   2.059   1.216  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.189  -4.153  -1.177  1.00  0.00           O  
HETATM   14  C   UNL     1       2.967  -1.704   1.722  1.00  0.00           C  
HETATM   15  C   UNL     1       5.805   1.148  -2.245  1.00  0.00           C  
HETATM   16  C   UNL     1       3.834  -2.442   0.940  1.00  0.00           C  
HETATM   17  C   UNL     1       4.520   0.764  -2.602  1.00  0.00           C  
HETATM   18  C   UNL     1       1.600  -1.888   1.574  1.00  0.00           C  
HETATM   19  C   UNL     1       6.049   1.590  -0.957  1.00  0.00           C  
HETATM   20  C   UNL     1       2.083  -3.514  -0.105  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.319  -3.048   0.444  1.00  0.00           C  
HETATM   22  N   UNL     1       3.376  -3.313   0.062  1.00  0.00           N  
HETATM   23  N   UNL     1       3.533   0.812  -1.736  1.00  0.00           N  
HETATM   24  N   UNL     1      -0.749  -0.789  -0.516  1.00  0.00           N  
HETATM   25  O   UNL     1      -4.216  -0.012   0.265  1.00  0.00           O  
HETATM   26  C   UNL     1       2.577   1.266   0.451  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.421  -0.642  -0.613  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.855   1.871   0.918  1.00  0.00           C  
HETATM   29  C   UNL     1       1.156  -2.812   0.641  1.00  0.00           C  
HETATM   30  C   UNL     1       4.987   1.633  -0.057  1.00  0.00           C  
HETATM   31  C   UNL     1       3.718   1.229  -0.488  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.554   2.131  -0.887  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.375  -2.151  -0.579  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.147  -2.714  -1.264  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.810  -2.230  -0.746  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.202   1.420   0.417  1.00  0.00           C  
HETATM   37  O   UNL     1      -1.806   1.941   0.084  1.00  0.00           O  
HETATM   38  C   UNL     1       0.320   3.084  -0.268  1.00  0.00           C  
HETATM   39  H   UNL     1       1.281   0.344  -0.787  1.00  0.00           H  
HETATM   40  H   UNL     1       0.567   0.886   1.999  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.654   2.766   1.617  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.206   2.216  -2.268  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.976   0.630  -1.493  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.679   1.978  -0.568  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.248   3.914   0.101  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.526   3.945  -0.347  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.775   4.152  -1.599  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.477  -2.318   1.259  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.487  -3.743   0.862  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.710  -2.259   1.463  1.00  0.00           H  
HETATM   51  H   UNL     1       5.133   3.019   1.321  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.965  -4.550  -1.595  1.00  0.00           H  
HETATM   53  H   UNL     1       3.349  -0.995   2.443  1.00  0.00           H  
HETATM   54  H   UNL     1       6.607   1.099  -2.966  1.00  0.00           H  
HETATM   55  H   UNL     1       4.900  -2.305   1.049  1.00  0.00           H  
HETATM   56  H   UNL     1       4.329   0.419  -3.607  1.00  0.00           H  
HETATM   57  H   UNL     1       0.899  -1.325   2.172  1.00  0.00           H  
HETATM   58  H   UNL     1       7.041   1.895  -0.656  1.00  0.00           H  
HETATM   59  H   UNL     1       1.745  -4.235  -0.834  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.496  -4.107   0.255  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.859  -2.744   1.341  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.730  -0.165  -1.289  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.829   1.860  -1.655  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.266  -2.500  -1.145  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.211  -2.469  -2.339  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.075  -2.434  -1.577  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.948   1.692   1.178  1.00  0.00           H  
HETATM   68  H   UNL     1       0.454   2.558  -1.214  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.195   4.027  -0.446  1.00  0.00           H  
HETATM   70  H   UNL     1       1.295   3.280   0.179  1.00  0.00           H  
CONECT    1    3    3    4   24                                       
CONECT    2    4   26   39                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   40                                       
CONECT    5    4   37   38   41                                       
CONECT    6   32   42   43   44                                       
CONECT    7   32   45   46   47                                       
CONECT    8   33   48   49   50                                       
CONECT    9   26   26                                                 
CONECT   10   27   27                                                 
CONECT   11   28   28                                                 
CONECT   12   30   51                                                 
CONECT   13   34   52                                                 
CONECT   14   16   16   18   53                                       
CONECT   15   17   17   19   54                                       
CONECT   16   14   14   22   55                                       
CONECT   17   15   15   23   56                                       
CONECT   18   14   29   29   57                                       
CONECT   19   15   30   30   58                                       
CONECT   20   22   22   29   59                                       
CONECT   21   29   35   60   61                                       
CONECT   22   16   20   20                                            
CONECT   23   17   31   31                                            
CONECT   24    1   35   62                                            
CONECT   25   27   36                                                 
CONECT   26    2    9    9   31                                       
CONECT   27   10   10   25   33                                       
CONECT   28   11   11   36   37                                       
CONECT   29   18   18   20   21                                       
CONECT   30   12   19   19   31                                       
CONECT   31   23   23   26   30                                       
CONECT   32    6    7   36   63                                       
CONECT   33    8   27   34   64                                       
CONECT   34   13   33   35   65                                       
CONECT   35   21   24   34   66                                       
CONECT   36   25   28   32   67                                       
CONECT   37    5   28                                                 
CONECT   38    5   68   69   70                                       
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   24                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
CONECT   70   38                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
